SCHEMBL30599790

SCHEMBL30599790

CCOC(=O)c1ccnn1-c1ccc(C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
TSHR P16473 3/20 0.45
LMNA P02545 1/20 0.45
ELANE P08246 2/20 0.44
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
KDM5A P29375 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
RAF1 P04049 1/20 0.40
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
FGFR1 P11362 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30599785 0.83 ALDH1A1 (0.44) MAPTTDP1SMN1; SMN2TSHRLMNA
SCHEMBL14711327 0.82 SLC5A1 (0.48) MAPTSMN1; SMN2TSHRALDH1A1RAB9A
SCHEMBL2358435 0.82 KMT2A (0.58) MAPTLMNAALDH1A1KDM4EMAPK1
SCHEMBL13624226 0.82 PDE4D (0.58) MAPTSMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL9681622 0.82 ALDH1A1 (0.57) MAPTSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL27588720 0.81 KDM4C (0.35) MAPTTDP1SMN1; SMN2TSHRLMNA
SCHEMBL3228828 0.81 SLC34A1 (0.49) MAPTTDP1SMN1; SMN2TSHRLMNA
SCHEMBL16099572 0.81 MAPT (0.47) MAPTTDP1SMN1; SMN2TSHRLMNA
SCHEMBL19640088 0.79 KDM4C (0.43) ALDH1A1KDM4ENPSR1POLBHPGD
SCHEMBL6180486 0.78 ALDH1A1 (0.56) MAPTSMN1; SMN2TSHRALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118696037-A Azacyclic amide derivatives, preparation method and medical application thereof 翰森生物有限责任公司 2024-09-24 CN disclosed
CN-111655692-B Nitrogen-containing heterocyclic amide compound and medical application thereof 日本烟草产业株式会社 2023-10-10 CN disclosed